2,4-Dichlorophenylacetonitrile(6306-60-1) IR1
Product Name2,4-Dichlorophenylacetonitrile
CAS6306-60-1
Molecular FormulaC8H5Cl2N
Molecular Weight186.04
InChIInChI=1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2
InChIKey VJARIBGMDPJLCL-UHFFFAOYSA-N
SmilesC1(CC#N)=CC=C(Cl)C=C1Cl
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MassMS-NW-6506 (2,4-dichlorophenyl)acetonitrile C8H5Cl2N (Mass of molecular ion: 185)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
36.0 1.2 37.0 1.9 38.0 1.8 39.0 2.6 43.0 1.8 49.0 1.3 50.0 3.7 51.0 1.5 56.5 2.0 57.0 1.1 57.5 1.2 61.0 4.0 62.0 4.7 63.0 4.8 64.0 1.6 73.0 4.7 74.0 4.0 74.5 3.0 75.0 4.6 75.5 1.0 76.0 1.1 84.0 1.4 85.0 1.7 86.0 2.2 87.0 4.2 88.0 3.8 89.0 2.0 92.5 1.6 93.5 1.2 97.0 1.9 98.0 1.0 99.0 1.4 109.0 1.6 114.0 14.4 115.0 3.0 123.0 11.5 124.0 2.8 125.0 3.9 148.0 1.2 149.0 6.6 150.0 100.0 151.0 11.2 152.0 33.4 153.0 3.0 157.0 1.4 158.0 1.6 159.0 2.5 160.0 1.2 161.0 1.2 184.0 3.3 185.0 41.2 186.0 5.9 187.0 26.3 188.0 2.8 189.0 4.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H5 Cl2 N 0.047 g : 0.5 ml CDCl3 (2,4-dichlorophenyl)acetonitrile 
Assign. Shift(ppm)
A 7.44 B 7.44 C 7.32 D 3.797
Hz ppm Int.672.81 7.513 110 672.25 7.507 113 671.63 7.500 43 667.00 7.448 243 665.19 7.428 563 664.38 7.419 425 663.81 7.412 290 658.00 7.348 361 656.19 7.327 266 655.25 7.317 59 649.56 7.253 86 647.75 7.233 88 340.13 3.798 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
